Geometry & MOs

Info

ID:	22722
PubChem CID:	598410
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	273.059028
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	2.77
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfanylethyl]-4-hydroxybutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCNC(=O)CCCO)Cl

DOS

IR

Vibrations